SQLite format 3@ .° ø° ?É í ^ é B • 8â˜Eì¢d°\%/sindexnumber_indexnumber_key_valuesCREATE INDEX number_index ON number_key_values(key)T!+kindextext_indextext_key_valuesCREATE INDEX text_index ON text_key_values(key)<Sindexkey_indexkeysCREATE INDEX key_index ON keys(key)H ']indexspecies_indexspeciesCREATE INDEX species_index ON species(Z)W -uindexcalculator_indexsystems CREATE INDEX calculator_index ON systems(calculator)Q )mindexusername_indexsystems CREATE INDEX username_index ON systems(username)H #aindexctime_indexsystems CREATE INDEX ctime_index ON systems(ctime)T +qindexunique_id_indexsystems CREATE INDEX unique_id_index ON systems(unique_id)[##tableinformationinformation CREATE TABLE information ( name TEXT, value TEXT)*//‚tablenumber_key_valuesnumber_key_valuesCREATE TABLE number_key_values ( key TEXT, value REAL, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))$++tabletext_key_valuestext_key_valuesCREATE TABLE text_key_values ( key TEXT, value TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))sItablekeyskeysCREATE TABLE keys ( key TEXT, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id)) otablespeciesspeciesCREATE TABLE species ( Z INTEGER, n INTEGER, id INTEGER, FOREIGN KEY (id) REFERENCES systems(id))P++Ytablesqlite_sequencesqlite_sequenceCREATE TABLE sqlite_sequence(name,seq)‡etablesystemssystemsCREATE TABLE systems ( id INTEGER PRIMARY KEY AUTOINCREMENT, -- ID's, timestamps and user name unique_id TEXT UNIQUE, ctime REAL, mtime REAL, username TEXT, numbers BLOB, -- stuff that defines an Atoms object positions BLOB, cell BLOB, pbc INTEGER, initial_magmoms BLOB, initial_charges BLOB, masses BLOB, tags BLOB, momenta BLOB, constraints TEXT, -- constraints and calculator calculator TEXT, calculator_parameters TEXT, energy REAL, -- calculated properties free_energy REAL, forces BLOB, stress BLOB, dipole BLOB, magmoms BLOB, magmom REAL, charges BLOB, key_value_pairs TEXT, -- key-value pairs and data as json data BLOB, natoms INTEGER, -- stuff for making queries faster fmax REAL, smax REAL, volume REAL, mass REAL, charge REAL)-Aindexsqlite_autoindex_systems_1systems   ‡^&Ml„L„Ll= d52f3e4745ae92e7c140f6387588017d@5STi&Š@8áã]ô`ÿyangxbOOOOOOOOë›á<@Ó–x@ù@$@²ô¡ êÛ@3ı.nc@$@û?‡ùòÂ@sczÂù?$@GZ*oG8ï?]Pß2Ç@$@r3Ü€Ïö?Å °rh‘ê?$@g~5@êxÌ@eì @$@‹qþ&b@+0du«ç@$@~RíÓñø@»íBs†@$@züÞ¦?›@¥ƒõs@$@Kvlâuà?äòÒo @$@kÔC4ºc@¼"øßJvó?$@±mQfƒŒ @Ÿvøk²& @$@À´‘³ü©@€—,ç{•"@4@vasp{}ÀF, Ö80ÀF1ßð&XW@ÜÕ«¨¿ù†Âgëà ?W@ÜÕ«¨?ù†Âgëà ¿€W@ÜÕ«¨?ù†Âgëà ?W@ÜÕ«¨¿ù†Âgëà ¿€®óo—ýº“¿¨ÿ¬ùñ—V?®óo—ýº“?¨ÿ¬ùñ—V¿®óo—ýº“?¨ÿ¬ùñ—V?€®óo—ýº“¿¨ÿ¬ùñ—V¿€†r¢]…”Ÿ?€‚‹5˜¦?†r¢]…”Ÿ¿€‚‹5˜¦¿†r¢]…”Ÿ¿€‚‹5˜¦?€†r¢]…”Ÿ?€‚‹5˜¦¿€—®º4¿û$¶Ý-ØD¿Î¾–ï¼IC?€€€{"E": 0.24479065750000029, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}{} ?­äuf)¶1?DØ-ݶ$û@–B“x²vñ@š`JKM ÜÜ#M d52f3e4745ae92e7c140f6387588017d ôô  systems ðøð O  âúîâ  Si_rate  Au_rate E  ÇñÜÇ Si_rate?ÕUUUUUU Au_rate?åUUUUUU  E?ÏULÞ*` óó version9 ÜÜ#M d52f3e4745ae92e7c140f6387588017d ôô  @5STi&Š öö  yangxb øø vasp õûõO  ãïûã Si_rate Au_rate E  ãïûã Si_rate Au_rate E